#!/usr/bin/bash -l
#SBATCH --nodes=1
#SBATCH --nodelist=Master
#SBATCH --ntasks=1
#SBATCH --gres=gpu:1
#SBATCH --cpus-per-task=4
#SBATCH --job-name=progen2_3
#SBATCH --output=/home/user4/slurm_logs/%j.out
#SBATCH --mem=80G

# modify to your own conda path
source /home/user4/miniconda3/bin/activate protein
cd /home/user4/workspace/hestia
which python
export PYTHONPATH="$PYTHONPATH:$(pwd)/src"
export HTTP_PROXY="http://Master:15777"
export HTTPS_PROXY="http://Master:15777"

dataset_name=/home/user4/workspace/proteingym-benchmark/data

python src/Progen2/predict.py \
    --dataset_input $dataset_name \
    --model_locate progen2_medium progen2_oas progen2_base progen2_large progen2_BFD90 progen2_xlarge \
    --model_dir src/Progen2/models \
